BDBM127662 US10251889, Example 35::US10758542, Example 35::US8791123, 35::US9782415, Example 35::US9796724, Example 35

SMILES: O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1

InChI Key: InChIKey=ISGDOVGHVRHZFY-QWFCFKBJSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 127662   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	n/a
Array Biopharma, Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US8791123 (2014) BindingDB Entry DOI: 10.7270/Q2Q23XX7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US8791123 (2014) BindingDB Entry DOI: 10.7270/Q2Q23XX7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Jak2: Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mix...				US Patent US10758542 (2020)
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2R49T22
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...				US Patent US9796724 (2017) BindingDB Entry DOI: 10.7270/Q27M0B21
					More data for this Ligand-Target Pair
JAK2 (aa 808-1132) (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9796724 (2017) BindingDB Entry DOI: 10.7270/Q27M0B21
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US10758542 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127662 (US10251889, Example 35 | US10758542, Example 35 | ...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)| Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2R49T22
					More data for this Ligand-Target Pair